N-(2-morpholin-4-ylethyl)methanethioamide

C7H14N2OS — CID 59030493

IUPACN-(2-morpholin-4-ylethyl)methanethioamide
SMILESS=CNCCN1CCOCC1
InChIInChI=1S/C7H14N2OS/c11-7-8-1-2-9-3-5-10-6-4-9/h7H,1-6H2,(H,8,11)
InChIKeyPAYHRVTXZBKHGQ-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.13
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)methanethioamide

N-(2-morpholin-4-ylethyl)methanethioamide (PubChem CID 59030493) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)methanethioamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)methanethioamide
PubChem CID59030493
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC NameN-(2-morpholin-4-ylethyl)methanethioamide
SMILESS=CNCCN1CCOCC1
InChIInChI=1S/C7H14N2OS/c11-7-8-1-2-9-3-5-10-6-4-9/h7H,1-6H2,(H,8,11)
InChIKeyPAYHRVTXZBKHGQ-UHFFFAOYSA-N
XLogP-0.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

CID 59303713
CID 59303713
N-methyl-2-morpholin-4-ylethanamine;molecular hydrogen
CID 143640277
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218
N-(2-morpholin-4-ylethyl)carbamodithioate
CID 91929836
(E)-N-(2-morpholin-4-ylethyl)but-2-en-2-amine
CID 143222411
(Z)-N'-methyl-3-(2-morpholin-4-ylethylamino)prop-2-enimidamide
CID 142291131
(E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine
CID 81429651
2-(2-morpholin-4-ylethylamino)acetonitrile
CID 28583059
N-methyl-4-(2-morpholin-4-ylethylamino)butanamide
CID 63892681
(Z)-2-(morpholine-4-carbonyl)-3-(2-morpholin-4-ylethylamino)prop-2-enenitrile
CID 108843675
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 43524751
2-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 60663033

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)methanethioamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)methanethioamide (CID 59030493) is N-(2-morpholin-4-ylethyl)methanethioamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)methanethioamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)methanethioamide is S=CNCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)methanethioamide?
The InChIKey is PAYHRVTXZBKHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c11-7-8-1-2-9-3-5-10-6-4-9/h7H,1-6H2,(H,8,11).
What are the key properties of N-(2-morpholin-4-ylethyl)methanethioamide?
N-(2-morpholin-4-ylethyl)methanethioamide has a molecular weight of 174.27 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)methanethioamide is sourced from PubChem (CID 59030493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).